4-Methyl-alpha-(trifluoromethyl)benzenemethanol
TL;DR: 4-Methyl-alpha-(trifluoromethyl)benzenemethanol (CAS 446-65-1) is a chemical compound with molecular formula C9H9F3O and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(4-methylphenyl)ethanol
Also Known As: 2,2,2-Trifluoro-1-(p-tolyl)ethanol, 2,2,2-trifluoro-1-p-tolylethanol, 2,2,2-trifluoro-1-(4-methylphenyl)ethanol, 2,2,2-trifluoro-1-p-tolyl-ethanol, alpha-(Trifluoromethyl)-4-methylbenzyl Alcohol
| Molecular Formula | C9H9F3O |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.06055 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 446-65-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(F)(F)F)O |
| InChIKey | LNYGOJDJKXEXDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-alpha-(trifluoromethyl)benzenemethanol (CAS 446-65-1), with molecular formula C9H9F3O and molecular weight 190.06 g/mol. IUPAC: 2,2,2-trifluoro-1-(4-methylphenyl)ethanol.
Chemical Property Profile of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol
Property Insights of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-alpha-(trifluoromethyl)benzenemethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Methyl-alpha-(trifluoromethyl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-alpha-(trifluoromethyl)benzenemethanol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol?
The CAS number of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol is 446-65-1.
What is the molecular formula of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol?
The molecular formula of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol is C9H9F3O.
What is the molecular weight of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol?
The molecular weight of 4-Methyl-alpha-(trifluoromethyl)benzenemethanol is 190.06 g/mol.
Where can I buy 4-Methyl-alpha-(trifluoromethyl)benzenemethanol?
You can request a quote for 4-Methyl-alpha-(trifluoromethyl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-alpha-(trifluoromethyl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-alpha-(trifluoromethyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.